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Sodium hydride → Benzyl 4-((1R,2S)-2-{2-[(3-methyl-5-nitropyridin-2-yl)oxy]ethyl}cyclopropyl)piperidine-1-carboxylate

HRID 1850791
Notes
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Reaction equation

HRID 1850791 reaction equation
[OH:1][CH2:2][CH2:3][C@@H:4]1[CH2:6][C@@H:5]1[CH:7]1[CH2:12][CH2:11][N:10]([C:13]([O:15][CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)=[O:14])[CH2:9][CH2:8]1.[H-].[Na+].Cl[C:26]1[C:31]([CH3:32])=[CH:30][C:29]([N+:33]([O-:35])=[O:34])=[CH:28][N:27]=1>CS(C)=O>[CH3:32][C:31]1[C:26]([O:1][CH2:2][CH2:3][C@@H:4]2[CH2:6][C@@H:5]2[CH:7]2[CH2:12][CH2:11][N:10]([C:13]([O:15][CH2:16][C:17]3[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=3)=[O:14])[CH2:9][CH2:8]2)=[N:27][CH:28]=[C:29]([N+:33]([O-:35])=[O:34])[CH:30]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 24758Sodium hydrideHCID 896482-Chloro-3-methyl-5-nitropyridineHCID 70856295Benzyl 4-((1R,2S)-2-(2-hydroxyethyl)cyclopropyl)piperidine-1-carboxylate2×

Product 1

HCID 70819067Benzyl 4-((1R,2S)-2-{2-[(3-methyl-5-nitropyridin-2-yl)oxy]ethyl}cyclopropyl)piperidine-1-carboxylate

Reagents, catalysts & solvents 1

HCID 679
Dimethyl Sulfoxide
Solvent

Conditions

Temperature
45 °C

Procedure

To the solution of benzyl 4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate (Intermediate 10, 1.84 g, 6.06 mmol) in 15 ml of DMSO was added NaH and the resulting solution was stirred at 45° C. for 15 min. The mixture was then cooled to 0° C. via an ice/water bath and 2-chloro-3-methyl-5-nitropyridine (1.05 g, 6.06 mmol) was added in portions. The reaction mixture turned dark and became a slurry. After 10 minutes, the ice/water bath was removed and 20 ml of DMSO was added. The resulting mixture was stirred for 40 minutes allowing to warm to room temperature. The reaction was quenched by water and extracted with ethyl acetate (3×100 mL). The organics were combined and washed with brine, dried on sodium sulfate, filtered and the filtrate concentrated under reduced pressure. The residue was purified via Biotage column (65M silica gel) using ethyl acetate in hexane (0-60%, 1000 ml) to afford the title compound. MS (ESI) m/z 440 [M+H]+.

Workup

  1. temperatureThe mixture was then cooled to 0° C. via an ice/water bath
  2. waitAfter 10 minutes
  3. customthe ice/water bath was removed
  4. addition20 ml of DMSO was added
  5. stirringThe resulting mixture was stirred for 40 minutes
  6. temperatureto warm to room temperature
  7. customThe reaction was quenched by water
  8. extractionextracted with ethyl acetate (3×100 mL)
  9. washwashed with brine
  10. customdried on sodium sulfate
  11. filtrationfiltered
  12. concentrationthe filtrate concentrated under reduced pressure
  13. customThe residue was purified via Biotage column (65M silica gel)

Sources & evidence

ORD record
ord-4088862e50b843d1aac542c78d2caf5c
Source dataset
uspto-grants-2015_02
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08957062B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes